Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.38 |
| ▸ | PKM | P14618 | 4/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | VCAM1 | P19320 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 6/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | MMP8 | P22894 | 1/20 | 0.38 |
| ▸ | MMP13 | P45452 | 1/20 | 0.38 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1941377 | 0.83 | ALDH1A1 (0.51) | ALDH1A1GAAVCAM1MAPTLMNA | |
| SCHEMBL15880676 | 0.81 | CA1 (0.53) | ALDH1A1VCAM1CA1CA2MMP1 | |
| SCHEMBL1939178 | 0.80 | CA1 (0.37) | ALDH1A1VCAM1MAPTLMNACA1 | |
| SCHEMBL8300222 | 0.79 | PTGES2 (0.43) | ALDH1A1PKMGAAHTTCYP2C19 | |
| SCHEMBL5226758 | 0.78 | VCAM1 (0.44) | PKMVCAM1MAPTLMNACA1 | |
| SCHEMBL1938338 | 0.78 | ALDH1A1 (0.40) | ALDH1A1PKMGAAMAPTHTT | |
| SCHEMBL27714360 | 0.78 | THRB (0.38) | ALDH1A1GAAVCAM1MAPTLMNA | |
| SCHEMBL1940034 | 0.78 | MAPK1 (0.43) | CA1CA2MAPK1 | |
| SCHEMBL5225576 | 0.77 | VCAM1 (0.62) | ALDH1A1GAAVCAM1MAPTLMNA | |
| SCHEMBL5225890 | 0.77 | VCAM1 (0.49) | ALDH1A1VCAM1MAPTLMNACA1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1851225-B1 | PYRAZOLO-PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2011-06-15 | — | — | EP | disclosed |